(4Z)-6-iodanyl-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-6-iodanyl-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-iodo-4-[[4-(4-methylpiperazin-1-yl)anilino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-iodo-4-[[4-(4-methyl-1-piperazinyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-iodo-4-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-iodo-4-[[4-(4-methylpiperazino)anilino]methylene]isoquinoline-1,3-quinone Formula: C21H21IN4O2 MolecularWeight: 488.32151

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)I)C(=O)NC3=O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)I)C(=O)NC3=O

InChI

InChI=1S/C21H21IN4O2/c1-25-8-10-26(11-9-25)16-5-3-15(4-6-16)23-13-19-18-12-14(22)2-7-17(18)20(27)24-21(19)28/h2-7,12-13,23H,8-11H2,1H3,(H,24,27,28)/b19-13-